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1-Benzyl-3-(tritylamino)-2-azepanone

HCID 69431014
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C1C(NC(c2ccccc2)(c2ccccc2)c2ccccc2)CCCCN1Cc1ccccc1
InChIKey
MCACQIUJVBZIBV-UHFFFAOYSA-N
Molecular formula
C32H32N2O
Average molar mass
460.6 g/mol

Names & identifiers

Preferred name
1-Benzyl-3-(tritylamino)-2-azepanone
IUPAC
1-benzyl-3-(tritylamino)azepan-2-one

Names & synonyms

SCHEMBL5408640MCACQIUJVBZIBV-UHFFFAOYSA-N1-benzyl-3-(tritylamino)-2-azepanone

Database identifiers

PubChem CID
69431014

Properties

Computed structural properties

XLogP
6.4
Topological polar surface area
32.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
7
Heavy atoms
35
Formal charge
0
Complexity
592

Related reactions

4 records
New reaction record
HRID 1225349 reaction equation
HRID 1225349As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID 1269749 reaction equation
HRID 1269749As productuspto-grants-2007_04
HRID 1269750 reaction equation
HRID 1269750As reactantuspto-grants-2007_04
HRID 1562250 reaction equation
HRID 1562250As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes